1671-0006 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium

1671-0006 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium
1671-0006 Screening compound: 1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1671-0006
1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1671-0006

Molecular Formula

C26H40NO (C26 H40 NO)

Compound Name

1-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium

IUPAC name

1-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-3-methylpyridin-1-ium

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCC[n+]1cc(C)ccc1

InChI

InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1

InChI Key

PDJZSOPTHHVYSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246663

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

382.61

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.711

Distribution Coefficient, logD

7.711

Water Solubility, LogSw

-5.58

Polar Surface Area

10.407

Acid Dissociation Constant (pKa)

26.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

1671-0006 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 1671-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1671-0006?
Check Price and Availability of 1671-0006, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1671-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1671-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1671-0006
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1671-0006 available by request